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Chemistry
Germany
2026

D-Index & Metrics

Chemistry

D-Index
149
Citations
117483
World Ranking
141
National Ranking
12

Frank Neese publication distribution in Chemistry in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Chemistry in 2026. The highlighted bar marks where Frank Neese sits on this spectrum.

61–80 publications: 66 scientists 81–100 publications: 302 scientists 101–120 publications: 623 scientists 121–140 publications: 918 scientists 141–160 publications: 1,218 scientists 161–180 publications: 1,350 scientists 181–200 publications: 1,344 scientists 201–220 publications: 1,281 scientists 221–240 publications: 1,216 scientists 241–260 publications: 1,100 scientists 261–280 publications: 979 scientists 281–300 publications: 939 scientists 301–320 publications: 764 scientists 321–340 publications: 643 scientists 341–360 publications: 628 scientists 361–380 publications: 522 scientists 381–400 publications: 459 scientists 401–420 publications: 397 scientists 421–440 publications: 327 scientists 441–460 publications: 270 scientists 461–480 publications: 265 scientists 481–500 publications: 252 scientists 501–520 publications: 201 scientists 521–540 publications: 185 scientists 541–560 publications: 148 scientists 561–580 publications: 148 scientists 581–600 publications: 132 scientists 601–620 publications: 114 scientists 621–640 publications: 104 scientists 641–660 publications: 91 scientists 661–680 publications: 92 scientists 681–700 publications: 73 scientists 701–720 publications: 57 scientists 721–740 publications: 54 scientists 741–760 publications: 67 scientists 761–780 publications: 45 scientists 781–800 publications: 46 scientists 801–820 publications: 39 scientists 821–840 publications: 32 scientists 841–860 publications: 36 scientists 861–880 publications: 29 scientists 881–900 publications: 26 scientists 901–920 publications: 24 scientists 921–940 publications: 14 scientists 941–960 publications: 23 scientists 961–980 publications: 28 scientists 981–1,000 publications: 15 scientists 1,001–1,020 publications: 29 scientists 1,021–1,040 publications: 12 scientists 1,041–1,060 publications: 19 scientists 1,061–1,080 publications: 12 scientists 1,081–1,100 publications: 6 scientists 1,101–1,120 publications: 8 scientists 1,121–1,140 publications: 12 scientists 1,141–1,160 publications: 5 scientists 1,161–1,180 publications: 6 scientists 1,181–1,200 publications: 14 scientists 1,201–1,220 publications: 7 scientists 1,221–1,240 publications: 2 scientists 1,241–1,260 publications: 6 scientists 1,261–1,280 publications: 4 scientists 1,281–1,294 publications: 6 scientists 1,295+ publications: 100 scientists
61 publications 1,295+

This scientist: 698 publications — 96th percentile

96% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 1,295 publications or more.

Frank Neese D-index placement in Chemistry in 2026

The chart shows the D-index (discipline H-index) distribution of Chemistry scientists ranked by Research.com in 2026. The highlighted bar marks where Frank Neese sits on this spectrum.

40–41 D-Index: 289 scientists 42–43 D-Index: 612 scientists 44–45 D-Index: 808 scientists 46–47 D-Index: 776 scientists 48–49 D-Index: 835 scientists 50–51 D-Index: 861 scientists 52–53 D-Index: 872 scientists 54–55 D-Index: 933 scientists 56–57 D-Index: 1,051 scientists 58–59 D-Index: 930 scientists 60–61 D-Index: 882 scientists 62–63 D-Index: 834 scientists 64–65 D-Index: 731 scientists 66–67 D-Index: 775 scientists 68–69 D-Index: 683 scientists 70–71 D-Index: 646 scientists 72–73 D-Index: 561 scientists 74–75 D-Index: 501 scientists 76–77 D-Index: 437 scientists 78–79 D-Index: 388 scientists 80–81 D-Index: 354 scientists 82–83 D-Index: 292 scientists 84–85 D-Index: 275 scientists 86–87 D-Index: 254 scientists 88–89 D-Index: 235 scientists 90–91 D-Index: 185 scientists 92–93 D-Index: 192 scientists 94–95 D-Index: 155 scientists 96–97 D-Index: 163 scientists 98–99 D-Index: 125 scientists 100–101 D-Index: 105 scientists 102–103 D-Index: 105 scientists 104–105 D-Index: 112 scientists 106–107 D-Index: 88 scientists 108–109 D-Index: 68 scientists 110–111 D-Index: 69 scientists 112–113 D-Index: 65 scientists 114–115 D-Index: 79 scientists 116–117 D-Index: 61 scientists 118–119 D-Index: 44 scientists 120–121 D-Index: 37 scientists 122–123 D-Index: 40 scientists 124–125 D-Index: 33 scientists 126–127 D-Index: 26 scientists 128–129 D-Index: 34 scientists 130–131 D-Index: 35 scientists 132–133 D-Index: 25 scientists 134–135 D-Index: 27 scientists 136–137 D-Index: 17 scientists 138–139 D-Index: 16 scientists 140–141 D-Index: 20 scientists 142–143 D-Index: 20 scientists 144–145 D-Index: 15 scientists 146–147 D-Index: 9 scientists 148–149 D-Index: 9 scientists 150–151 D-Index: 16 scientists 152–153 D-Index: 11 scientists 154–155 D-Index: 9 scientists 156–157 D-Index: 3 scientists 158 D-Index: 3 scientists 159+ D-Index: 98 scientists
40 D-Index 159+

This scientist: 149 D-Index — 99th percentile

99% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 159 D-Index or more.

Research.com Recognitions

  • 2026 - Research.com Chemistry in Germany Leader Award
  • 2025 - Research.com Chemistry in Germany Leader Award
  • 2022 - Research.com Chemistry in Germany Leader Award
  • 2018 - Member of Academia Europaea
  • 2013 - German National Academy of Sciences Leopoldina - Deutsche Akademie der Naturforscher Leopoldina – Nationale Akademie der Wissenschaften Chemistry

Overview

Frank Neese is affiliated with the Max Planck Society in Germany and has contributed extensively to the fields of Materials Science, Chemistry, and Physics and Astronomy. Their research spans several subfields, including Materials Chemistry, Atomic and Molecular Physics and Optics, Organic Chemistry, Inorganic Chemistry, and Electronic, Optical and Magnetic Materials.

The scientist's work encompasses a variety of main research topics, which include:

  • Advanced Chemical Physics Studies
  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Magnetism in coordination complexes
  • Spectroscopy and Quantum Chemical Studies
  • Advanced NMR Techniques and Applications
  • Machine Learning in Materials Science

Frank Neese has authored several important papers, with some recent publications being:

  • The ORCA quantum chemistry program package, 2020, published in The Journal of Chemical Physics
  • Software update: The ORCA program system-Version 5.0, 2022, published in Wiley Interdisciplinary Reviews Computational Molecular Science
  • Computational molecular spectroscopy, 2021, published in Nature Reviews Methods Primers
  • Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following, 2021, published in Journal of Chemical Theory and Computation
  • An improved chain of spheres for exchange algorithm, 2021, published in The Journal of Chemical Physics

Frequent collaborators in research include:

  • Mihail Atanasov
  • Giovanni Bistoni
  • Daniel J. SantaLucia
  • Eckhard Bill
  • Serena DeBeer

The scientist's publications have appeared consistently in notable journals and databases such as:

  • The Cambridge Structural Database
  • The Journal of Chemical Physics
  • Journal of Chemical Theory and Computation
  • Journal of the American Chemical Society
  • Inorganic Chemistry

Frank Neese has received recognition in the form of membership in prestigious academies, including the Academia Europaea since 2018 and the German National Academy of Sciences Leopoldina in 2013, specifically noted for contributions in Chemistry.

Best Publications

  • The ORCA program system

    Frank Neese

  • Software update: the ORCA program system, version 4.0

    Frank Neese

  • Software update: The ORCA program system—Version 5.0

    Unknown

  • The ORCA quantum chemistry program package

    Frank Neese;Frank Wennmohs;Ute Becker;Christoph Riplinger

  • Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

    Frank Neese;Frank Neese;Frank Wennmohs;Andreas Hansen;Ute Becker

  • Geometric and Electronic Structure/Function Correlations in Non-Heme Iron Enzymes

    Edward I. Solomon;Thomas C. Brunold;Mindy I. Davis;Jyllian N. Kemsley

  • An efficient and near linear scaling pair natural orbital based local coupled cluster method

    Christoph Riplinger;Frank Neese

  • Natural triple excitations in local coupled cluster calculations with pair natural orbitals

    Christoph Riplinger;Barbara Sandhoefer;Andreas Hansen;Frank Neese

  • All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms.

    Dimitrios A. Pantazis;Xian-Yang Chen;Clark R. Landis;Frank Neese

  • An improvement of the resolution of the identity approximation for the formation of the Coulomb matrix

    Frank Neese

  • Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling

    Frank Neese

  • Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory.

    Christoph Riplinger;Peter Pinski;Ute Becker;Edward F. Valeev

  • Efficient and accurate approximations to the molecular spin-orbit coupling operator and their use in molecular g-tensor calculations.

    Frank Neese

  • X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor

    Kyle M. Lancaster;Michael Roemelt;Patrick Ettenhuber;Yilin Hu

  • An overlap fitted chain of spheres exchange method.

    Róbert Izsák;Frank Neese

  • Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (direct COSMO-RS).

    Sebastian Sinnecker;Arivazhagan Rajendran;Andreas Klamt;Michael Diedenhofen

  • Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]

    Yang Guo;Christoph Riplinger;Ute Becker;Dimitrios G. Liakos

  • Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory

    Dimitrios G. Liakos;Manuel Sparta;Manoj K. Kesharwani;Jan M. L. Martin

  • Automatic Generation of Auxiliary Basis Sets

    Georgi L. Stoychev;Alexander A. Auer;Frank Neese

  • Prediction and interpretation of the 57Fe isomer shift in Mössbauer spectra by density functional theory

    Frank Neese

  • Density functional theory

    Maylis Orio;Maylis Orio;Dimitrios A. Pantazis;Dimitrios A. Pantazis;Frank Neese;Frank Neese

  • Prediction of electron paramagnetic resonance g values using coupled perturbed Hartree–Fock and Kohn–Sham theory

    Frank Neese

Frequent Co-Authors

Dimitrios A. Pantazis
Dimitrios A. Pantazis Max Planck Society
Mihail Atanasov
Mihail Atanasov Max Planck Society
Eckhard Bill
Eckhard Bill Max Planck Society
Shengfa Ye
Shengfa Ye Sun Yat-sen University
Serena DeBeer
Serena DeBeer Max Planck Society
Wolfgang Lubitz
Wolfgang Lubitz Max Planck Society
Thomas Weyhermüller
Thomas Weyhermüller Max Planck Society
Karl Wieghardt
Karl Wieghardt Max Planck Society
Carole Duboc
Carole Duboc Grenoble Alpes University
Eberhard Bothe
Eberhard Bothe Max Planck Society

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